cyclobutylmethanamine

• ChemBase ID: 63325
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C1(CN)CCC1
• Canonical SMILES: NCC1CCC1
• InChI: InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2
• InChIKey: LQNHRNOPWKZUSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutylmethanamine
• IUPAC Traditional name: cyclobutylmethanamine
• Synonyms: Cyclobutanemethanamine; (cyclobutylmethyl)amine; 1-Cyclobutylmethylamine; CyclobutylMethanaMine

Database IDs

• CAS Number: 4415-83-2
• MDL Number: MFCD06212616
• PubChem SID: 162029064
• PubChem CID: 409746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4246025
• LogD (pH = 7.4): -2.013694
• Log P: 0.5996871
• Molar Refractivity: 26.4618 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%